Geometry & MOs

Info

ID:	192090
PubChem CID:	78227107
Reduced:	SN2O2C8H14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	5.94
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,7-dimethyl-2-(4-methylphenyl)-4,6-dioxo-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),9,11,13,15-pentaen-17-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)COC1CC(=O)NC(=S)N1

DOS

IR

Vibrations